6-methylsulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-methylsulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 5-hydroxy-6-methylsulfanyl-6-(4-nonylphenyl)hexanoic acid CAS Name: 5-hydroxy-6-(methylthio)-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 5-hydroxy-6-methylsulfanyl-6-(4-nonylphenyl)hexanoic acid Traditional Name: 5-hydroxy-6-(methylthio)-6-(4-nonylphenyl)hexanoic acid Formula: C22H36O3S MolecularWeight: 380.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC

InChI

InChI=1S/C22H36O3S/c1-3-4-5-6-7-8-9-11-18-14-16-19(17-15-18)22(26-2)20(23)12-10-13-21(24)25/h14-17,20,22-23H,3-13H2,1-2H3,(H,24,25)